8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

C25H14Cl2O4 — CID 44555055

IUPAC8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c12
InChIInChI=1S/C25H14Cl2O4/c1-13-11-20(28)31-24-16(13)9-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-8-7-15(26)12-18(17)27/h2-12H,1H3
InChIKeyYEKPKJRTVVVGMM-UHFFFAOYSA-N
MW449.29 g/mol
LogP7.05
Rot. Bonds3

About 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 44555055) has the molecular formula C25H14Cl2O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
PubChem CID44555055
Molecular FormulaC25H14Cl2O4
Molecular Weight449.29 g/mol
Exact Mass448.03
IUPAC Name8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c12
InChIInChI=1S/C25H14Cl2O4/c1-13-11-20(28)31-24-16(13)9-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-8-7-15(26)12-18(17)27/h2-12H,1H3
InChIKeyYEKPKJRTVVVGMM-UHFFFAOYSA-N
XLogP7.05
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.29
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 44555055) is 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)cc3Cl)c(-c3ccccc3)c12.
What is the InChIKey of 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is YEKPKJRTVVVGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl2O4/c1-13-11-20(28)31-24-16(13)9-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-8-7-15(26)12-18(17)27/h2-12H,1H3.
What are the key properties of 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?
8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 449.29 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 44555055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).